2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde

C19H19N3O3 — CID 71602803

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IUPAC2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
InChIInChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3
InChIKeyFWCVZAQENIZVMY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.62
Rot. Bonds6

About 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde

2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde (PubChem CID 71602803) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
PubChem CID71602803
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
InChIInChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3
InChIKeyFWCVZAQENIZVMY-UHFFFAOYSA-N
XLogP3.62
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-Hydroxy-3-pyrazolo[1,5-a]pyridin-2-yl-chromen-2-one
CID 135995954
(E)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 137640885
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 137660598
(E)-1-(2,4-dimethoxyphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 7946142
(E)-1-(2,4-dimethoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-en-1-one
CID 9026583
2-Fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 71621777
3-[[2-(2-Propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
CID 85473236
6-Methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
CID 85473237
3-hydroxy-5-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)isonicotinaldehyde
CID 85473368
3-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-5-methoxyisonicotinaldehyde
CID 85473369
2-[[2-(2-Propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 129115739
(4aR)-8-acetyl-5,7-dihydroxy-1-(6-methoxy-3-pyridinyl)-3,4a,6-trimethyl-[1]benzofuro[3,2-f]indazol-4-one
CID 153525026

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde (CID 71602803) is 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde is CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O.
What is the InChIKey of 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
The InChIKey is FWCVZAQENIZVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3.
What are the key properties of 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde has a molecular weight of 337.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde is sourced from PubChem (CID 71602803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).